CID 118134

Decatone

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CC(C)C1CCC2CC(=O)CCC2C1

InChI

InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3

InChIKey

HEKJOMVJRYMUDB-UHFFFAOYSA-N

Compound name

6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 731
Patents: 194.16707 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.17435	146.3
[M+Na]+	217.15629	156.9
[M+NH4]+	212.20089	156.1
[M+K]+	233.13023	149.9
[M-H]-	193.15979	149.1
[M+Na-2H]-	215.14174	149.8
[M]+	194.16652	148.5
[M]-	194.16762	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe